Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | PGK1 | P00558 | 1/20 | 0.36 |
| ▸ | PGK2 | P07205 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 2/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | USP5 | P45974 | 1/20 | 0.31 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12727277 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TSHRPGK1PGK2PDPK1 | |
| SCHEMBL10895031 | 0.82 | LMNA (0.48) | ALDH1A1TSHRMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL1596423 | 0.81 | ALDH1A1 (0.42) | ALDH1A1PGK1PGK2HDAC8HDAC6 | |
| SCHEMBL20587670 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL68148 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL6441255 | 0.80 | ALDH1A1 (0.45) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL8154043 | 0.80 | TSHR (0.60) | ALDH1A1TSHRCES2CES1TP53 | |
| SCHEMBL10892931 | 0.78 | TSHR (0.40) | ALDH1A1TSHRPGK1PGK2PDPK1 | |
| SCHEMBL8925765 | 0.78 | ALDH1A1 (0.43) | ALDH1A1TSHRPGK1PGK2CES2 | |
| SCHEMBL11019038 | 0.78 | MAPT (0.48) | ALDH1A1TSHRMEN1KMT2ASMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5113016-A | Manufacture of phthaloyl chlorides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-05-12 | — | — | US | claimed |
| CN-114901362-A | Bivalent LECA inhibitors against pseudomonas aeruginosa biofilm formation | 赫姆霍尔兹传染病研究中心有限责任公司 | 2022-08-12 | — | — | CN | disclosed |
| US-5113016-A | Manufacture of phthaloyl chlorides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-05-12 | — | — | US | disclosed |
| US-4709054-A | REACTION OF AROMATIC ACYL HALIDE AND HALOGENATED POLYSILANE, TRANSITION METAL CATALYST | GENERAL ELECTRIC COMPANY (US) | 1987-11-24 | — | — | US | disclosed |